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Assay Detail

CHEMBL4380597

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Displacement of [3H]4-(2,6-Difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-yl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide from human wild-type OX2 receptor expressed in baculovirus infected Sf21 insect cell membranes measured after 90 mins by liquid scintillation counting method
12
Total Activities
12
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type Sf21
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Orexin receptor type 2 (CHEMBL4792)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Doré AS, Errey JC, Jazayeri A, Marshall FH, Mason JS, Mould R, Patel JC, Tehan BG, Weir M, Christopher JA.
J Med Chem (2020) 63 : 1528 -1543
PubMed 31860301 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 12 7.93 9.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2107822 FILOREXANT 2.0 1 9.70
CHEMBL3545367 LEMBOREXANT 4.0 1 9.30
CHEMBL3597952 ACT-462206 1.0 1 9.20
CHEMBL1083659 SUVOREXANT 4.0 1 9.10
CHEMBL4297590 DARIDOREXANT 4.0 1 8.90
CHEMBL3740099 1 8.30
CHEMBL4590386 1 7.80
CHEMBL4592653 1 7.30
CHEMBL2413522 1 7.20
CHEMBL291536 1 6.20
CHEMBL1334465 1 6.10
CHEMBL2385132 1 6.00

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2107822 FILOREXANT Ki = 0.1995 nM 9.70
CHEMBL3545367 LEMBOREXANT Ki = 0.5012 nM 9.30
CHEMBL3597952 ACT-462206 Ki = 0.631 nM 9.20
CHEMBL1083659 SUVOREXANT Ki = 0.7943 nM 9.10
CHEMBL4297590 DARIDOREXANT Ki = 1.259 nM 8.90
CHEMBL3740099 Ki = 5.012 nM 8.30
CHEMBL4590386 Ki = 15.85 nM 7.80
CHEMBL4592653 Ki = 50.12 nM 7.30
CHEMBL2413522 Ki = 63.1 nM 7.20
CHEMBL291536 Ki = 630.96 nM 6.20
CHEMBL1334465 Ki = 794.33 nM 6.10
CHEMBL2385132 Ki = 1000.0 nM 6.00